Vitas-M small molecule compound
ethyl 5-(acetyloxy)-2-{[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]methyl}-6-bromo-1H-indole-3-carboxylate
Catalog ID
STK270354
SMILES CCOC(=O)c1c(CSc2nc(N)c(cc2C#N)C#N)[nH]c2c1cc(OC(=O)C)c(c2)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H16BrN5O4S MW 514.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN5O4S/c1-3-30-21(29)18-13-5-17(31-10(2)28)14(22)6-15(13)26-16(18)9-32-20-12(8-24)4-11(7-23)19(25)27-20/h4-6,26H,3,9H2,1-2H3,(H2,25,27)InChIKey
VQZDTEXCJBXQKP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=CC(=C(C=C21)OC(=O)C)Br)CSC3=C(C=C(C(=N3)N)C#N)C#N
CCOC(=O)c1c(CSc2nc(N)c(cc2C#N)C#N)(nH)c2c1cc(OC(=O)C)c(c2)Br
ethyl5(acetyloxy)2(((6amino35dicyanopyridin2yl)sulfanyl)methyl)6bromo1Hindole3carboxylate
ethyl5acetyloxy2((6amino35dicyanopyridin2yl)sulfanylmethyl)6bromo1Hindole3carboxylate
InChI=1SC21H16BrN5O4Sc133021(29)1813517(3110(2)28)14(22)615(13)2616(18)9322012(824)411(723)19(25)2720h4626H39H212H3(H22527)
MFCD09164132
ZINC000018247471
ZINC18247471
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